4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

C12H22N4O — CID 136979021

IUPAC4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)10(13)5-6-16(4)11-7-12(17)15-9(3)14-11/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyREABXLFQGYLCBI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.89
Rot. Bonds5

About 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136979021) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136979021
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)10(13)5-6-16(4)11-7-12(17)15-9(3)14-11/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,17)
InChIKeyREABXLFQGYLCBI-UHFFFAOYSA-N
XLogP0.89
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 115318155
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
CID 113285623
4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958004
3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957593
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136979021) is 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CCC(N)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is REABXLFQGYLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)10(13)5-6-16(4)11-7-12(17)15-9(3)14-11/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,17).
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).